#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mvz s LYS 2 N 0.00 0.55 -1.41 -0.78 2.20 -1.26 -5.08 119.74 113.96 1mvz s LYS 2 Ca 0.00 1.07 -0.12 0.00 -0.36 0.00 0.00 55.97 56.55 1mvz s LYS 2 Cb 0.00 0.30 0.08 0.00 -1.51 0.00 0.00 37.83 36.69 1mvz s LYS 2 CO 0.00 -0.14 2.14 -1.13 -0.36 0.00 0.00 175.35 175.86 1mvz n SER 3 N 4.44 4.39 -4.03 1.43 3.41 -1.26 -4.87 113.62 117.14 1mvz n SER 3 Ca -0.17 -2.92 -0.14 0.00 -0.26 0.00 0.00 58.87 55.38 1mvz n SER 3 Cb 0.56 -1.60 -0.12 0.00 -0.26 0.00 0.00 64.21 62.79 1mvz n SER 3 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1mvz s THR 4 N 2.24 0.48 0.00 6.66 -4.23 -1.26 -4.88 115.64 114.65 1mvz s THR 4 Ca 0.45 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 1mvz s THR 4 Cb 0.13 -0.52 0.00 0.00 1.34 0.00 0.00 72.50 73.45 1mvz s THR 4 CO -0.06 -0.25 0.00 1.07 -0.54 0.00 0.00 174.62 174.84 1mvz n THR 5 N 1.88 0.00 -1.25 3.99 5.66 -1.26 -5.13 114.28 118.17 1mvz n THR 5 Ca -0.20 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.61 1mvz n THR 5 Cb 0.56 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 69.48 1mvz n THR 5 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1mvz n THR 6 N 0.00 0.00 -1.70 1.09 -2.24 -1.26 -4.95 114.28 105.22 1mvz n THR 6 Ca 0.00 -0.48 -0.61 0.00 -2.27 0.00 0.00 64.05 60.70 1mvz n THR 6 Cb 0.00 -1.45 -0.08 0.00 -2.10 0.00 0.00 70.33 66.70 1mvz n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mvz n ALA 7 N -3.83 -0.83 -4.21 6.98 0.00 -1.26 -4.94 120.51 112.42 1mvz n ALA 7 Ca -0.13 0.45 -0.22 0.00 0.00 0.00 0.00 53.44 53.54 1mvz n ALA 7 Cb 0.37 -2.09 -0.07 0.00 0.00 0.00 0.00 19.45 17.66 1mvz n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mvz n ASP 10 N 0.58 0.00 -4.56 0.00 8.00 -1.26 -1.98 116.55 117.33 1mvz n ASP 10 Ca -0.05 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.02 1mvz n ASP 10 Cb 0.58 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.33 1mvz n ASP 10 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1mvz s PHE 11 N -0.91 2.89 -0.58 1.24 0.08 -1.26 -4.79 117.98 114.66 1mvz s PHE 11 Ca 0.00 0.33 0.06 0.00 0.12 0.00 0.00 56.93 57.44 1mvz s PHE 11 Cb 0.00 -4.01 0.22 0.00 -0.57 0.00 0.00 43.02 38.66 1mvz s PHE 11 CO 0.00 -1.15 0.61 0.00 -0.10 0.00 0.00 175.22 174.57 1mvz s PRO 13 N -1.74 1.77 0.09 0.00 0.04 -1.14 -4.74 135.00 129.27 1mvz s PRO 13 Ca 0.35 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.45 1mvz s PRO 13 Cb 0.10 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1mvz s PRO 13 CO -0.08 -1.95 -0.06 0.00 0.04 0.00 0.00 177.00 174.94 1mvz s THR 15 N -3.35 3.79 -0.38 0.00 -4.23 -0.21 -4.99 115.64 106.28 1mvz s THR 15 Ca 0.09 0.50 0.06 0.00 -1.18 0.00 0.00 61.69 61.16 1mvz s THR 15 Cb 0.03 -3.56 0.54 0.00 1.34 0.00 0.00 72.50 70.85 1mvz s THR 15 CO -0.04 -0.72 1.63 0.54 -0.54 0.00 0.00 174.62 175.48 1mvz n ARG 16 N -2.89 2.22 -1.87 3.99 1.74 -1.26 -4.44 116.66 114.14 1mvz n ARG 16 Ca 0.06 -3.26 -0.20 0.00 -0.77 0.00 0.00 57.85 53.68 1mvz n ARG 16 Cb 0.57 -2.01 0.12 0.00 -1.02 0.00 0.00 32.46 30.11 1mvz n ARG 16 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1mvz n SER 17 N -1.07 0.67 -3.85 0.55 3.41 -1.26 -4.94 113.62 107.13 1mvz n SER 17 Ca 0.45 -1.68 -0.30 0.00 -0.26 0.00 0.00 58.87 57.07 1mvz n SER 17 Cb 1.15 -0.61 -0.15 0.00 -0.26 0.00 0.00 64.21 64.33 1mvz n SER 17 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1mvz s ILE 18 N -2.70 1.44 0.70 -1.33 1.10 -1.26 -1.74 121.20 117.41 1mvz s ILE 18 Ca 0.54 -1.75 -0.11 0.00 -0.51 0.00 0.00 60.65 58.82 1mvz s ILE 18 Cb -0.02 -2.06 0.01 0.00 0.15 0.00 0.00 42.46 40.54 1mvz s ILE 18 CO 0.37 -0.61 1.07 -2.16 -2.11 0.00 0.00 174.94 171.49 1mvz s PRO 19 N 1.33 2.84 0.39 3.50 0.04 -1.26 -5.14 135.00 136.70 1mvz s PRO 19 Ca 0.09 1.05 -0.23 0.00 0.04 0.00 0.00 61.00 61.95 1mvz s PRO 19 Cb -0.18 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 1mvz s PRO 19 CO -0.18 -1.18 0.94 -1.25 0.04 0.00 0.00 177.00 175.37 1mvz s PRO 20 N -4.86 4.36 -0.05 0.56 0.04 -0.71 -5.00 135.00 129.34 1mvz s PRO 20 Ca 0.60 1.19 0.05 0.00 0.04 0.00 0.00 61.00 62.88 1mvz s PRO 20 Cb -0.15 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 1mvz s PRO 20 CO 0.52 0.09 -0.21 1.14 0.04 0.00 0.00 177.00 178.59 1mvz s GLN 21 N -2.75 2.48 0.00 4.56 0.00 -1.26 -4.58 119.66 118.12 1mvz s GLN 21 Ca 0.57 -0.83 0.02 0.00 -0.00 0.00 0.00 55.36 55.12 1mvz s GLN 21 Cb -0.13 -2.24 -0.04 0.00 0.00 0.00 0.00 33.01 30.61 1mvz s GLN 21 CO 0.17 0.49 -0.01 0.00 0.00 0.00 0.00 175.29 175.95 1mvz s GLN 23 N -1.56 0.86 -0.19 0.00 0.74 -0.77 -1.82 119.66 116.92 1mvz s GLN 23 Ca 0.19 -0.55 -0.07 0.00 0.05 0.00 0.00 55.36 54.99 1mvz s GLN 23 Cb -0.11 0.37 -0.04 0.00 1.10 0.00 0.00 33.01 34.33 1mvz s GLN 23 CO 0.10 -0.29 0.05 0.00 -0.55 0.00 0.00 175.29 174.61 1mvz n THR 25 N 3.74 0.19 -1.94 0.00 -2.24 -0.56 -4.61 114.28 108.86 1mvz n THR 25 Ca -0.17 -0.59 -0.33 0.00 -2.27 0.00 0.00 64.05 60.69 1mvz n THR 25 Cb 0.52 1.14 0.03 0.00 -2.10 0.00 0.00 70.33 69.91 1mvz n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mvz s ASP 26 N -1.10 5.43 -0.05 3.42 2.15 -1.24 -4.96 116.67 120.32 1mvz s ASP 26 Ca 0.18 1.97 -0.02 0.00 0.43 0.00 0.00 52.55 55.11 1mvz s ASP 26 Cb 0.12 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.22 1mvz s ASP 26 CO 0.17 -1.41 0.11 -0.69 -0.17 0.00 0.00 175.17 173.18 1mvz s VAL 27 N -2.28 -0.04 0.00 1.11 1.01 -1.26 -4.49 120.40 114.45 1mvz s VAL 27 Ca 0.67 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1mvz s VAL 27 Cb -0.20 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.00 1mvz s VAL 27 CO 0.37 0.06 0.00 -1.14 0.00 0.00 0.00 175.10 174.40 1mvz n ARG 28 N 3.99 0.00 0.00 2.72 0.63 -0.62 -4.97 116.66 118.41 1mvz n ARG 28 Ca -0.24 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.69 1mvz n ARG 28 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 1mvz n ARG 28 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1mvz n GLU 29 N 0.00 0.00 -3.51 -0.14 2.13 -1.26 -0.70 120.64 117.17 1mvz n GLU 29 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 1mvz n GLU 29 Cb 0.00 -0.22 -0.02 0.00 0.27 0.00 0.00 31.44 31.47 1mvz n GLU 29 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1mvz s LYS 30 N 0.00 2.66 0.75 5.31 1.02 -1.26 -2.43 119.74 125.79 1mvz s LYS 30 Ca 0.00 -1.40 -0.09 0.00 0.02 0.00 0.00 55.97 54.49 1mvz s LYS 30 Cb 0.00 -2.49 0.07 0.00 -0.52 0.00 0.00 37.83 34.88 1mvz s LYS 30 CO 0.00 -0.13 1.10 0.00 -0.92 0.00 0.00 175.35 175.39 1mvz s HIS 32 N -3.41 2.05 0.46 0.00 -3.43 -1.26 -4.99 115.29 104.71 1mvz s HIS 32 Ca 0.61 0.23 0.13 0.00 -0.80 0.00 0.00 55.06 55.23 1mvz s HIS 32 Cb -0.11 -3.54 1.06 0.00 -1.43 0.00 0.00 32.58 28.57 1mvz s HIS 32 CO 0.47 -2.01 2.06 1.03 -2.00 0.00 0.00 174.74 174.29 1mvz h SER 33 N -1.03 0.10 -1.45 7.38 0.87 -1.95 -3.07 113.55 114.40 1mvz h SER 33 Ca -0.42 -0.01 -0.68 0.00 -1.23 0.00 0.00 61.79 59.45 1mvz h SER 33 Cb 1.27 -0.02 -0.33 0.00 -0.44 0.00 0.00 62.40 62.88 1mvz h SER 33 CO 0.47 0.16 0.39 0.00 -0.53 0.00 0.00 176.83 177.32 1mvz n ALA 34 N -2.51 5.98 -3.72 6.23 0.00 -1.26 -4.87 120.51 120.35 1mvz n ALA 34 Ca -0.02 -3.94 -0.25 0.00 0.00 0.00 0.00 53.44 49.24 1mvz n ALA 34 Cb 0.16 -1.41 -0.17 0.00 0.00 0.00 0.00 19.45 18.03 1mvz n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mvz n LYS 36 N 4.51 1.46 -2.44 0.00 5.02 -1.26 -4.65 118.16 120.80 1mvz n LYS 36 Ca -0.17 0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.73 1mvz n LYS 36 Cb 0.51 -1.36 0.02 0.00 -0.02 0.00 0.00 35.03 34.18 1mvz n LYS 36 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1mvz n SER 37 N -2.62 7.42 -4.57 4.39 3.41 -1.26 -4.95 113.62 115.44 1mvz n SER 37 Ca -0.24 -3.70 -0.34 0.00 -0.26 0.00 0.00 58.87 54.32 1mvz n SER 37 Cb 0.93 -1.15 -0.11 0.00 -0.26 0.00 0.00 64.21 63.62 1mvz n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mvz s LEU 39 N 0.17 -0.10 0.15 0.00 2.96 -0.72 -5.02 118.68 116.12 1mvz s LEU 39 Ca 0.01 0.99 0.11 0.00 -0.22 0.00 0.00 54.13 55.02 1mvz s LEU 39 Cb -0.13 1.93 -0.04 0.00 0.50 0.00 0.00 46.19 48.44 1mvz s LEU 39 CO 0.02 -0.26 -0.26 0.00 -1.32 0.00 0.00 176.35 174.53 1mvz s THR 41 N -1.29 4.73 -1.74 0.00 -1.32 -0.62 -4.98 115.64 110.43 1mvz s THR 41 Ca 0.16 0.75 0.12 0.00 -1.21 0.00 0.00 61.69 61.52 1mvz s THR 41 Cb -0.09 -3.72 0.40 0.00 -1.51 0.00 0.00 72.50 67.58 1mvz s THR 41 CO 0.07 -0.51 1.30 0.54 -2.21 0.00 0.00 174.62 173.82 1mvz n ARG 42 N -1.24 2.24 -1.30 7.08 1.74 -1.26 -4.26 116.66 119.66 1mvz n ARG 42 Ca 0.03 -1.61 -0.30 0.00 -0.77 0.00 0.00 57.85 55.20 1mvz n ARG 42 Cb 0.54 -1.45 0.23 0.00 -1.02 0.00 0.00 32.46 30.76 1mvz n ARG 42 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1mvz s SER 43 N -0.90 1.29 -0.16 0.55 0.01 -1.26 -4.93 113.70 108.30 1mvz s SER 43 Ca 0.30 0.46 0.01 0.00 1.31 0.00 0.00 55.95 58.02 1mvz s SER 43 Cb 0.17 -0.59 0.03 0.00 0.21 0.00 0.00 66.02 65.83 1mvz s SER 43 CO 0.18 -3.88 -0.14 0.12 0.41 0.00 0.00 173.24 169.93 1mvz s PHE 44 N -3.26 2.29 0.35 2.43 2.19 -1.26 -2.18 117.98 118.55 1mvz s PHE 44 Ca 0.73 -1.35 -0.26 0.00 0.33 0.00 0.00 56.93 56.37 1mvz s PHE 44 Cb -0.07 -1.64 -0.09 0.00 -1.31 0.00 0.00 43.02 39.91 1mvz s PHE 44 CO 0.55 -0.70 1.06 -1.25 1.83 0.00 0.00 175.22 176.71 1mvz s PRO 45 N 1.45 4.36 -0.54 10.12 0.04 -1.26 -5.10 135.00 144.07 1mvz s PRO 45 Ca 0.03 1.62 -0.28 0.00 0.04 0.00 0.00 61.00 62.41 1mvz s PRO 45 Cb -0.14 -2.80 0.02 0.00 0.04 0.00 0.00 34.50 31.62 1mvz s PRO 45 CO -0.10 0.01 1.35 -1.25 0.04 0.00 0.00 177.00 177.05 1mvz s PRO 46 N -2.06 3.42 0.10 0.56 0.04 -0.92 -4.99 135.00 131.14 1mvz s PRO 46 Ca 0.52 0.50 0.06 0.00 0.04 0.00 0.00 61.00 62.12 1mvz s PRO 46 Cb -0.26 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.17 1mvz s PRO 46 CO 0.33 -1.79 -0.04 -0.65 0.04 0.00 0.00 177.00 174.88 1mvz s GLN 47 N 5.23 2.35 0.05 4.56 -0.21 -1.26 -4.89 119.66 125.49 1mvz s GLN 47 Ca 0.52 -0.94 0.04 0.00 0.02 0.00 0.00 55.36 54.99 1mvz s GLN 47 Cb -0.10 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 1mvz s GLN 47 CO 0.27 0.52 -0.01 0.00 -2.12 0.00 0.00 175.29 173.95 1mvz s ARG 49 N -1.98 1.51 -0.02 0.00 3.00 -0.51 -1.60 118.95 119.35 1mvz s ARG 49 Ca 0.23 -1.80 0.01 0.00 0.00 0.00 0.00 55.73 54.17 1mvz s ARG 49 Cb -0.12 -0.81 0.01 0.00 0.00 0.00 0.00 34.95 34.03 1mvz s ARG 49 CO 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 175.30 175.29 1mvz n TYR 51 N 3.46 3.00 -1.02 0.00 9.36 0.05 -4.22 117.16 127.78 1mvz n TYR 51 Ca -0.19 -2.58 -0.32 0.00 3.32 0.00 0.00 57.90 58.13 1mvz n TYR 51 Cb 0.55 -0.67 0.13 0.00 -0.63 0.00 0.00 39.34 38.71 1mvz n TYR 51 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 1mvz s ASP 52 N -2.91 3.59 -0.26 2.98 1.47 -1.26 -4.88 116.67 115.40 1mvz s ASP 52 Ca 0.54 2.17 -0.02 0.00 1.18 0.00 0.00 52.55 56.43 1mvz s ASP 52 Cb 0.44 -2.57 0.08 0.00 -0.34 0.00 0.00 42.92 40.54 1mvz s ASP 52 CO -0.04 -2.66 0.07 -0.63 0.68 0.00 0.00 175.17 172.59 1mvz s ILE 53 N -2.50 0.66 0.04 2.11 -1.09 -1.25 -4.10 121.20 115.06 1mvz s ILE 53 Ca 0.68 -1.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 1mvz s ILE 53 Cb -0.24 -1.36 -0.03 0.00 -1.58 0.00 0.00 42.46 39.26 1mvz s ILE 53 CO 0.54 -0.49 -0.05 0.42 -1.23 0.00 0.00 174.94 174.13 1mvz s THR 54 N 1.76 0.33 0.16 2.92 -4.23 -0.76 -4.94 115.64 110.88 1mvz s THR 54 Ca 0.05 -1.17 -0.11 0.00 -1.18 0.00 0.00 61.69 59.28 1mvz s THR 54 Cb -0.17 -0.66 0.03 0.00 1.34 0.00 0.00 72.50 73.03 1mvz s THR 54 CO -0.20 -0.55 1.60 0.44 -0.54 0.00 0.00 174.62 175.37 1mvz h ASP 55 N 4.26 0.94 -3.65 3.99 5.19 -1.87 0.17 116.42 125.45 1mvz h ASP 55 Ca -0.34 -0.33 -0.16 0.00 -0.62 0.00 0.00 57.03 55.58 1mvz h ASP 55 Cb 1.19 -0.25 0.04 0.00 0.18 0.00 0.00 39.33 40.49 1mvz h ASP 55 CO 0.46 1.04 0.07 2.22 -3.12 0.00 0.00 179.24 179.92 1mvz n PHE 56 N -4.25 -3.45 -3.54 4.55 -1.74 -1.26 -4.64 117.46 103.14 1mvz n PHE 56 Ca 0.01 -0.57 -0.11 0.00 -0.56 0.00 0.00 57.45 56.22 1mvz n PHE 56 Cb 0.35 -0.29 -0.03 0.00 1.52 0.00 0.00 39.48 41.03 1mvz n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1mvz s TYR 58 N -3.69 3.06 1.02 0.00 2.02 -1.26 -5.04 117.35 113.46 1mvz s TYR 58 Ca 0.02 1.59 -0.14 0.00 -0.37 0.00 0.00 57.07 58.17 1mvz s TYR 58 Cb 0.00 -3.09 0.20 0.00 -0.40 0.00 0.00 41.96 38.67 1mvz s TYR 58 CO -0.12 -0.80 1.11 -1.25 -1.57 0.00 0.00 175.55 172.92 1mvz s PRO 59 N -3.02 0.29 0.19 -1.71 0.04 -1.26 -4.46 135.00 125.08 1mvz s PRO 59 Ca 0.65 0.33 -0.33 0.00 0.04 0.00 0.00 61.00 61.69 1mvz s PRO 59 Cb -0.18 -1.74 -0.14 0.00 0.04 0.00 0.00 34.50 32.48 1mvz s PRO 59 CO 0.22 -2.78 1.52 -1.13 0.04 0.00 0.00 177.00 174.87 1mvz n SER 60 N -4.18 2.99 -4.19 6.66 3.41 -1.23 -3.21 113.62 113.88 1mvz n SER 60 Ca 0.07 1.11 -0.29 0.00 -0.26 0.00 0.00 58.87 59.49 1mvz n SER 60 Cb 0.58 -1.43 0.18 0.00 -0.26 0.00 0.00 64.21 63.28 1mvz n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88